9FPD

Crystal structure of human TAK1/TAB1 fusion protein in complex with compound S1

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000032
Spacegroup name	I 2 2 2
Unit cell lengths	58.280, 133.755, 144.725
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.930 - 2.402
R-factor	0.2086
Rwork	0.208
R-free	0.22240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.750
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	98.229	2.641
High resolution limit [Å]	2.354	2.354
Rmerge	0.110	1.190
Rmeas	0.118
Rpim	0.042
Number of reflections	12956	648
<I/σ(I)>	11.7	1.6
Completeness [%]	54.2	9.4
Redundancy	7.8	6.9
CC(1/2)	0.998	0.617

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Tris HCl pH 7.25, 0.9 M Tri-sodium citrate, 0.2 M sodium chloride, 10 mM DTT